6-chloro-1-methylindole-3-carbaldehyde

C10H8ClNO — CID 22139020

IUPAC6-chloro-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2ccc(Cl)cc21
InChIInChI=1S/C10H8ClNO/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-6H,1H3
InChIKeyZPCNJRXHEZRJSU-UHFFFAOYSA-N
MW193.63 g/mol
LogP2.64
Rot. Bonds1

About 6-chloro-1-methylindole-3-carbaldehyde

6-chloro-1-methylindole-3-carbaldehyde (PubChem CID 22139020) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 6-chloro-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-1-methylindole-3-carbaldehyde
PubChem CID22139020
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name6-chloro-1-methylindole-3-carbaldehyde
SMILESCn1cc(C=O)c2ccc(Cl)cc21
InChIInChI=1S/C10H8ClNO/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-6H,1H3
InChIKeyZPCNJRXHEZRJSU-UHFFFAOYSA-N
XLogP2.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methylindole-3-carbaldehyde?
The IUPAC name of 6-chloro-1-methylindole-3-carbaldehyde (CID 22139020) is 6-chloro-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 6-chloro-1-methylindole-3-carbaldehyde?
The canonical SMILES for 6-chloro-1-methylindole-3-carbaldehyde is Cn1cc(C=O)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-methylindole-3-carbaldehyde?
The InChIKey is ZPCNJRXHEZRJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-12-5-7(6-13)9-3-2-8(11)4-10(9)12/h2-6H,1H3.
What are the key properties of 6-chloro-1-methylindole-3-carbaldehyde?
6-chloro-1-methylindole-3-carbaldehyde has a molecular weight of 193.63 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 22139020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).